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Target
Collagenase 3
Ligand
BDBM50181018
Substrate
n/a
Meas. Tech.
ChEMBL_339181 (CHEMBL867737)
IC50
4±n/a nM
Citation
 Levin, JI; Chen, JM; Laakso, LM; Du, M; Schmid, J; Xu, W; Cummons, T; Xu, J; Jin, G; Barone, D; Skotnicki, JS Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg Med Chem Lett 16:1605-9 (2006) [PubMed]  Article 
Target
Name:
Collagenase 3
Synonyms:
MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13)
Type:
Enzyme
Mol. Mass.:
53808.06
Organism:
Homo sapiens (Human)
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM50181018
Synonyms:
(S)-tert-butyl 4-(4-(3-(hydroxycarbamoyl)-2,2-dimethylthiomorpholinosulfonyl)phenoxy)but-2-ynylcarbamate | CHEMBL437499
Type:
Small organic molecule
Emp. Form.:
C22H31N3O7S2
Mol. Mass.:
513.627
SMILES:
CC(C)(C)OC(=O)NCC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
Structure:
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